SCHEMBL8779393

SCHEMBL8779393

CCCc1ccc(C(CCO)C2NC(=O)c3ccccc32)cc1CCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TNF P01375 1/20 0.33
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
PARP3 Q9Y6F1 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8779431 0.91 CYP1A2 (0.40) CYP1A2HSD17B10TNFTNKSTNKS2
SCHEMBL8779459 0.80 TNF (0.45) CYP1A2HSD17B10TNF
SCHEMBL8421923 0.79 TNF (0.56) HSD17B10TNF
SCHEMBL8421376 0.79 TNF (0.56) HSD17B10TNF
SCHEMBL8779441 0.78 CYP1A2 (0.39) CYP1A2HSD17B10TNKSTNKS2PARP3
SCHEMBL7440983 0.72 TNF (0.61) TNF
SCHEMBL8779410 0.70 TNF (0.49) HSD17B10TNFPPARGPPARA
SCHEMBL8420151 0.68 TNF (0.43) CYP1A2TNF
SCHEMBL8779469 0.68 TNF (0.42) CYP1A2TNF
SCHEMBL7448361 0.67 MEN1 (0.63) HSD17B10TNF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797437-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1997-10-01 EP disclosed
WO-1996020705-A1 IMMUNOTHERAPEUTIC IMIDES/AMIDES AND THEIR USE FOR REDUCING LEVELS OF TNF$g(a) CELGENE CORPORATION (US) 1996-07-11 WO disclosed